molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4859660 |
|
IC50 |
= |
-34200.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804413 |
cell-based format |
CHEMBL4868141 |
OBDepict
H
2
N
N
O
O
HN
NH
S
O
O
|
IC50 |
= |
-6100.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804413 |
cell-based format |
CHEMBL3746157 |
OBDepict
H
2
N
O
N
N
S
N
|
IC50 |
= |
4.0 |
nM |
244.28 |
NC(=O)c1nc(-c2ccns2)c2ccccn12 |
Homo sapiens |
CHEMBL3751415 |
single protein format |
CHEMBL3747095 |
OBDepict
CH
3
N
H
N
O
H
2
N
N
|
IC50 |
= |
4.0 |
nM |
228.25 |
CNc1ccc(-c2ccncc2)nc1C(N)=O |
Homo sapiens |
CHEMBL3751415 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
17.2 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328489 |
single protein format |
CHEMBL3747443 |
OBDepict
NH
2
O
N
NH
2
N
|
IC50 |
= |
30.0 |
nM |
214.23 |
NC(=O)c1nc(-c2ccncc2)ccc1N |
Homo sapiens |
CHEMBL3751415 |
single protein format |
CHEMBL3746484 |
OBDepict
NH
2
O
N
N
N
|
IC50 |
= |
150.0 |
nM |
238.25 |
NC(=O)c1nc(-c2ccncc2)c2ccccn12 |
Homo sapiens |
CHEMBL3751415 |
single protein format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
900.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804413 |
cell-based format |